2-[(Z)-1-aminobut-1-en-2-yl]-1,2,4-triazol-3-amine

C6H11N5 — CID 145221182

IUPAC2-[(Z)-1-aminobut-1-en-2-yl]-1,2,4-triazol-3-amine
SMILESCC/C(=C/N)n1ncnc1N
InChIInChI=1S/C6H11N5/c1-2-5(3-7)11-6(8)9-4-10-11/h3-4H,2,7H2,1H3,(H2,8,9,10)/b5-3-
InChIKeyCYJJBYPYLJFMIM-HYXAFXHYSA-N
MW153.19 g/mol
LogP0.03
Rot. Bonds2

About 2-[(Z)-1-aminobut-1-en-2-yl]-1,2,4-triazol-3-amine

2-[(Z)-1-aminobut-1-en-2-yl]-1,2,4-triazol-3-amine (PubChem CID 145221182) has the molecular formula C6H11N5 and a molecular weight of 153.19 g/mol. Its IUPAC name is 2-[(Z)-1-aminobut-1-en-2-yl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-[(Z)-1-aminobut-1-en-2-yl]-1,2,4-triazol-3-amine
PubChem CID145221182
Molecular FormulaC6H11N5
Molecular Weight153.19 g/mol
Exact Mass153.10
IUPAC Name2-[(Z)-1-aminobut-1-en-2-yl]-1,2,4-triazol-3-amine
SMILESCC/C(=C/N)n1ncnc1N
InChIInChI=1S/C6H11N5/c1-2-5(3-7)11-6(8)9-4-10-11/h3-4H,2,7H2,1H3,(H2,8,9,10)/b5-3-
InChIKeyCYJJBYPYLJFMIM-HYXAFXHYSA-N
XLogP0.03
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-Pent-1-en-2-yl-1,2,4-triazole
CID 20397459
N-methyl-3-(1,2,4-triazol-1-yl)prop-1-en-1-amine
CID 89075288
5,6-Dimethyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 135976745
5-Methyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136196381
N-(2-prop-1-en-2-yl-1,2,4-triazol-3-yl)methanimine
CID 143935792
N-methyl-3-(1,2,4-triazol-1-yl)prop-1-en-2-amine
CID 144717647
1-(3-Methylbut-1-en-2-yl)-1,2,4-triazole
CID 170572005
3-(1,2,4-Triazol-1-yl)hex-2-en-1-amine
CID 174778817
N,N-dimethyl-1-prop-1-en-2-yl-1,2,4-triazol-3-amine
CID 21812251
1-but-1-en-2-yl-N,N-dimethyl-1,2,4-triazol-3-amine
CID 21812252
1-(But-3-en-1-yl)-1H-1,2,4-triazol-3-amine
CID 130847972
1-(Pent-4-en-2-yl)-1H-1,2,4-triazol-3-amine
CID 130856414

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-aminobut-1-en-2-yl]-1,2,4-triazol-3-amine?
The IUPAC name of 2-[(Z)-1-aminobut-1-en-2-yl]-1,2,4-triazol-3-amine (CID 145221182) is 2-[(Z)-1-aminobut-1-en-2-yl]-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-[(Z)-1-aminobut-1-en-2-yl]-1,2,4-triazol-3-amine?
The canonical SMILES for 2-[(Z)-1-aminobut-1-en-2-yl]-1,2,4-triazol-3-amine is CC/C(=C/N)n1ncnc1N.
What is the InChIKey of 2-[(Z)-1-aminobut-1-en-2-yl]-1,2,4-triazol-3-amine?
The InChIKey is CYJJBYPYLJFMIM-HYXAFXHYSA-N. The full InChI is InChI=1S/C6H11N5/c1-2-5(3-7)11-6(8)9-4-10-11/h3-4H,2,7H2,1H3,(H2,8,9,10)/b5-3-.
What are the key properties of 2-[(Z)-1-aminobut-1-en-2-yl]-1,2,4-triazol-3-amine?
2-[(Z)-1-aminobut-1-en-2-yl]-1,2,4-triazol-3-amine has a molecular weight of 153.19 g/mol, XLogP of 0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-aminobut-1-en-2-yl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 145221182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).